N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide

C28H28F3N5O3S — CID 168844066

IUPACN-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1nc(C(F)(F)F)cc(-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)c1NC(=O)C1CCNCC1
InChIInChI=1S/C28H28F3N5O3S/c1-13-22(35-24(37)14-4-7-32-8-5-14)17(11-19(34-13)28(29,30)31)16-6-9-33-18-10-15(40-23(16)18)12-36-25(38)20-21(26(36)39)27(20,2)3/h6,9-11,14,20-21,32H,4-5,7-8,12H2,1-3H3,(H,35,37)
InChIKeyUUOXSQCWKNBLML-UHFFFAOYSA-N
MW571.63 g/mol
LogP4.76
Rot. Bonds5

About N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide

N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 168844066) has the molecular formula C28H28F3N5O3S and a molecular weight of 571.63 g/mol. Its IUPAC name is N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID168844066
Molecular FormulaC28H28F3N5O3S
Molecular Weight571.63 g/mol
Exact Mass571.19
IUPAC NameN-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1nc(C(F)(F)F)cc(-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)c1NC(=O)C1CCNCC1
InChIInChI=1S/C28H28F3N5O3S/c1-13-22(35-24(37)14-4-7-32-8-5-14)17(11-19(34-13)28(29,30)31)16-6-9-33-18-10-15(40-23(16)18)12-36-25(38)20-21(26(36)39)27(20,2)3/h6,9-11,14,20-21,32H,4-5,7-8,12H2,1-3H3,(H,35,37)
InChIKeyUUOXSQCWKNBLML-UHFFFAOYSA-N
XLogP4.76
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.63
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[7-[5-Chloro-3-methyl-2-(piperidin-3-ylamino)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 156013528
3-[[7-[5-Chloro-3-methyl-2-(piperidin-3-ylmethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 156018246
(1S,5R)-3-[[7-[3-[(3S)-3-aminopyrrolidine-1-carbonyl]-4-methyl-6-(trifluoromethyl)-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 178273424
US12404279, Example 80.
CID 168844029
US12404279, Example 144.
CID 168844035
Example 77 [US12404279]
CID 168844043
US12404279, Example 140.
CID 168844044
US12404279, Example 156.
CID 168844047
US12404279, Example 97.
CID 168844052
US12404279, Example 143.
CID 168844054
US12404279, Example 108.
CID 168844060
US12404279, Example 82.
CID 168844068

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide (CID 168844066) is N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide is Cc1nc(C(F)(F)F)cc(-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)c1NC(=O)C1CCNCC1.
What is the InChIKey of N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is UUOXSQCWKNBLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O3S/c1-13-22(35-24(37)14-4-7-32-8-5-14)17(11-19(34-13)28(29,30)31)16-6-9-33-18-10-15(40-23(16)18)12-36-25(38)20-21(26(36)39)27(20,2)3/h6,9-11,14,20-21,32H,4-5,7-8,12H2,1-3H3,(H,35,37).
What are the key properties of N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide?
N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 571.63 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 168844066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).